(6-amino-5-chloro-2-cyclopropylpyrimidin-4-yl) acetate

C9H10ClN3O2 — CID 174617589

IUPAC(6-amino-5-chloro-2-cyclopropylpyrimidin-4-yl) acetate
SMILESCC(=O)Oc1nc(C2CC2)nc(N)c1Cl
InChIInChI=1S/C9H10ClN3O2/c1-4(14)15-9-6(10)7(11)12-8(13-9)5-2-3-5/h5H,2-3H2,1H3,(H2,11,12,13)
InChIKeyWNMVJXXCJQMDTO-UHFFFAOYSA-N
MW227.65 g/mol
LogP1.51
Rot. Bonds2

About (6-amino-5-chloro-2-cyclopropylpyrimidin-4-yl) acetate

(6-amino-5-chloro-2-cyclopropylpyrimidin-4-yl) acetate (PubChem CID 174617589) has the molecular formula C9H10ClN3O2 and a molecular weight of 227.65 g/mol. Its IUPAC name is (6-amino-5-chloro-2-cyclopropylpyrimidin-4-yl) acetate.

Molecular Properties

Compound Name(6-amino-5-chloro-2-cyclopropylpyrimidin-4-yl) acetate
PubChem CID174617589
Molecular FormulaC9H10ClN3O2
Molecular Weight227.65 g/mol
Exact Mass227.05
IUPAC Name(6-amino-5-chloro-2-cyclopropylpyrimidin-4-yl) acetate
SMILESCC(=O)Oc1nc(C2CC2)nc(N)c1Cl
InChIInChI=1S/C9H10ClN3O2/c1-4(14)15-9-6(10)7(11)12-8(13-9)5-2-3-5/h5H,2-3H2,1H3,(H2,11,12,13)
InChIKeyWNMVJXXCJQMDTO-UHFFFAOYSA-N
XLogP1.51
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-amino-5-chloro-2-cyclopropylpyrimidin-4-yl) acetate?
The IUPAC name of (6-amino-5-chloro-2-cyclopropylpyrimidin-4-yl) acetate (CID 174617589) is (6-amino-5-chloro-2-cyclopropylpyrimidin-4-yl) acetate.
What is the SMILES notation for (6-amino-5-chloro-2-cyclopropylpyrimidin-4-yl) acetate?
The canonical SMILES for (6-amino-5-chloro-2-cyclopropylpyrimidin-4-yl) acetate is CC(=O)Oc1nc(C2CC2)nc(N)c1Cl.
What is the InChIKey of (6-amino-5-chloro-2-cyclopropylpyrimidin-4-yl) acetate?
The InChIKey is WNMVJXXCJQMDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2/c1-4(14)15-9-6(10)7(11)12-8(13-9)5-2-3-5/h5H,2-3H2,1H3,(H2,11,12,13).
What are the key properties of (6-amino-5-chloro-2-cyclopropylpyrimidin-4-yl) acetate?
(6-amino-5-chloro-2-cyclopropylpyrimidin-4-yl) acetate has a molecular weight of 227.65 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-5-chloro-2-cyclopropylpyrimidin-4-yl) acetate is sourced from PubChem (CID 174617589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).